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CAS 361442-00-4
Also known as: 361442-00-4, (s)-n-boc-3-hydroxyadamantylglycine, Boc-3-hydroxy-1-adamantyl-d-glycine, (2s)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, Mfcd16660445, (2s)-((tert-butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic acid
Molecular Formula
C17H27NO5
Molecular Weight
325.4  g/mol
InChI Key
UKCKDSNFBFHSHC-ZEJPWUNMSA-N

1 2D Structure

CAS 361442-00-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
2.1.2 InChI
InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1
2.1.3 InChI Key
UKCKDSNFBFHSHC-ZEJPWUNMSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 361442-00-4

2. (s)-n-boc-3-hydroxyadamantylglycine

3. Boc-3-hydroxy-1-adamantyl-d-glycine

4. (2s)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid

5. Mfcd16660445

6. (2s)-((tert-butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic Acid

7. Ec 700-361-0

8. (s)-2-(boc-amino)-2-(3-hydroxy-1-adamantanyl)acetic Acid

9. Schembl2110140

10. Dtxsid60957561

11. (2s)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-hydroxyadamantan-1-yl)acetic Acid

12. Bcp02491

13. (2s)-2-((tert-butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid

14. Akos016843568

15. Ds-4349

16. Ex-7794

17. Boc-3hydroxy-1admantyl-d- Glycine

18. Cs-0135316

19. Tert-butoxycarbonylamino-(3-hydroxyadamantan-1-yl)acetic Acid

20. (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic Acid

21. (s)-2-((tert-butoxycarbonyl)amino)-2-((1r,3r,5r,7s)-3-hydroxyadamantan-1-yl)acetic Acid

22. (2s)-[(tert-butoxycarbonyl)amino]-2-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)acetic Acid

23. (alphas)-alpha-[[(1,1-dimethylethoxy)carbonyl]-amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

24. (alphas)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

25. (alphas)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1 3,7]decane-1-acetic Acid

26. (alphas)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 325.4 g/mol
Molecular Formula C17H27NO5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass325.18892296 g/mol
Monoisotopic Mass325.18892296 g/mol
Topological Polar Surface Area95.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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